Project name: Vunakizumab

Chain sequence(s)	H: EVQLVQSGAEVKKPGASVKVSCKASGYTFTDYEVHWVRQAPGQGLEWMGVIDPGTGGVAYNQKFEGRVTMTADTSTSTAYMELRSLRSDDTAVYYCTRYSLFYGSSPYAMDYWGQGTLVTVSS; L: EIVLTQSPDFQSVTPKEKVTITCSASSSVNYMHWFQQKPDQSPKLWIYRTSNLASGVPSRFSGSGSGTDYTLTINSLEAEDAATYYCQQRSSYPWTFGQGTKLEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -3.882
• Maximal score value: 2.999
• Average score: -0.5578
• Total score value: -127.7382

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	E	H	-2.1412
2	V	H	-1.1407
3	Q	H	-1.3202
4	L	H	0.0000
5	V	H	0.5280
6	Q	H	0.0000
7	S	H	-0.3739
8	G	H	-0.4902
9	A	H	0.1558
11	E	H	0.1554
12	V	H	1.0239
13	K	H	-0.8415
14	K	H	-2.1528
15	P	H	-2.3389
16	G	H	-1.7071
17	A	H	-1.3780
18	S	H	-1.4001
19	V	H	0.0000
20	K	H	-1.4077
21	V	H	0.0000
22	S	H	-0.2445
23	C	H	0.0000
24	K	H	-0.5094
25	A	H	0.0000
26	S	H	-0.8747
27	G	H	-1.2754
28	Y	H	-0.7447
29	T	H	-0.5693
30	F	H	0.0000
35	T	H	-1.2209
36	D	H	-1.5342
37	Y	H	-0.3181
38	E	H	-0.4220
39	V	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5049
45	A	H	-0.9183
46	P	H	-0.9508
47	G	H	-1.2129
48	Q	H	-1.7699
49	G	H	-1.1927
50	L	H	0.0000
51	E	H	-0.6168
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	V	H	0.3158
56	I	H	0.0000
57	D	H	-1.0061
58	P	H	0.0000
59	G	H	-1.2859
62	T	H	-0.6349
63	G	H	-0.7649
64	G	H	-0.3234
65	V	H	0.6804
66	A	H	0.3492
67	Y	H	-0.4104
68	N	H	-1.4911
69	Q	H	-2.6022
70	K	H	-2.8631
71	F	H	0.0000
72	E	H	-2.9872
74	G	H	-1.8932
75	R	H	-1.6748
76	V	H	0.0000
77	T	H	-0.5216
78	M	H	0.0000
79	T	H	-0.0767
80	A	H	-0.4840
81	D	H	-0.8001
82	T	H	-0.6073
83	S	H	-0.4476
84	T	H	-0.5003
85	S	H	-0.5548
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1880
89	M	H	0.0000
90	E	H	-0.9569
91	L	H	0.0000
92	R	H	-1.4525
93	S	H	-1.4427
94	L	H	0.0000
95	R	H	-3.1721
96	S	H	-2.4201
97	D	H	-2.5761
98	D	H	0.0000
99	T	H	-0.7947
100	A	H	0.0000
101	V	H	0.3863
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	0.0000
107	Y	H	0.7546
108	S	H	0.0000
109	L	H	1.8981
110	F	H	2.9990
111	Y	H	2.1962
111A	G	H	0.6525
112B	S	H	0.7178
112A	S	H	0.0000
112	P	H	0.0000
113	Y	H	1.2772
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.2570
117	Y	H	0.2022
118	W	H	-0.0741
119	G	H	0.0000
120	Q	H	-1.2457
121	G	H	-0.5495
122	T	H	0.0000
123	L	H	0.5975
124	V	H	0.0000
125	T	H	-0.1409
126	V	H	0.0000
127	S	H	-1.1809
128	S	H	-0.8477
1	E	L	-1.0563
2	I	L	0.1785
3	V	L	1.1646
4	L	L	0.0000
5	T	L	-0.2211
6	Q	L	0.0000
7	S	L	-0.3782
8	P	L	-0.3762
9	D	L	-0.7180
10	F	L	0.4825
11	Q	L	-0.4604
12	S	L	-0.9506
13	V	L	0.0000
14	T	L	-2.1460
15	P	L	-2.5244
16	K	L	-3.4701
17	E	L	-3.8820
18	K	L	-3.4719
19	V	L	0.0000
20	T	L	-0.8606
21	I	L	0.0000
22	T	L	-0.6727
23	C	L	0.0000
24	S	L	-0.7701
25	A	L	0.0000
26	S	L	-0.1674
27	S	L	-0.4610
28	S	L	-0.9576
29	V	L	0.0000
37	N	L	-1.4326
38	Y	L	-0.8647
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.0111
45	K	L	-1.5131
46	P	L	-1.4826
47	D	L	-2.4409
48	Q	L	-2.0186
49	S	L	-1.1731
50	P	L	0.0000
51	K	L	-0.6413
52	L	L	-0.0072
53	W	L	-0.0664
54	I	L	0.0000
55	Y	L	-0.0741
56	R	L	-0.6777
57	T	L	-0.7107
65	S	L	-0.6576
66	N	L	-0.7310
67	L	L	-0.0980
68	A	L	-0.1587
69	S	L	-0.3583
70	G	L	-0.4414
71	V	L	-0.1500
72	P	L	-0.2567
74	S	L	-0.5303
75	R	L	-1.2127
76	F	L	0.0000
77	S	L	-0.6082
78	G	L	0.0000
79	S	L	-0.8843
80	G	L	-1.3051
83	S	L	-1.3032
84	G	L	-1.2792
85	T	L	-1.4035
86	D	L	-2.0980
87	Y	L	0.0000
88	T	L	-0.6813
89	L	L	0.0000
90	T	L	-0.8688
91	I	L	0.0000
92	N	L	-2.9174
93	S	L	-2.9426
94	L	L	0.0000
95	E	L	-2.3718
96	A	L	-1.7858
97	E	L	-2.2536
98	D	L	0.0000
99	A	L	-1.4964
100	A	L	0.0000
101	T	L	-0.8566
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	R	L	0.1014
108	S	L	-0.1672
109	S	L	0.1077
114	Y	L	0.7147
115	P	L	-0.1930
116	W	L	0.0000
117	T	L	0.1096
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.1537
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2401
124	L	L	0.0000
125	E	L	-1.9205
126	I	L	-1.2672
127	K	L	-1.9499